(5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
TL;DR: (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate (CAS 153136-25-5) is a chemical compound with molecular formula C12H11N3O6 and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
Also Known As: BAS 00318833, 4,7-diacetoxy-5-acetamidobenzofurazan, 5-Acetamido-4,7-diacetoxybenzofurazan, (5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate, Acetic acid 7-acetoxy-5-acetylamino-benzo[1,2,5]oxadiazol-4-yl ester
| Molecular Formula | C12H11N3O6 |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.0648 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 153136-25-5 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=NON=C2C(=C1)OC(=O)C)OC(=O)C |
| InChIKey | AABQOSHDRSWHSN-UHFFFAOYSA-N |
Product Overview
(5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate (CAS 153136-25-5), with molecular formula C12H11N3O6 and molecular weight 293.06 g/mol. IUPAC: (5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate.
Chemical Property Profile of (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
Property Insights of (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate
The XLogP value of -0.1 indicates that (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate. Following Lipinski's Rule of Five, (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate?
The CAS number of (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate is 153136-25-5.
What is the molecular formula of (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate?
The molecular formula of (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate is C12H11N3O6.
What is the molecular weight of (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate?
The molecular weight of (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate is 293.06 g/mol.
Where can I buy (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate?
You can request a quote for (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.